Showing Metabocard for 3-hydroxy-2-methylpropanoate (BASm0000254)
| Common Name | 3-hydroxy-2-methylpropanoate |
|---|---|
| Description | Not Available |
| Structure | |
| Molecular Formula | C4H7O3 |
| Average Mass | 103.09800 |
| Monoisotopic Mass | 103.04007 |
| IUPAC Name | (2S)-3-hydroxy-2-methylpropanoic acid |
| Traditional Name | (2s)-3-hydroxy-2-methylpropanoic acid |
| CAS Registry Number | Not Available |
| SMILES | CC(CO)C(=O)[O-] |
| InChI Identifier | InChI=1S/C4H8O3/c1-3(2-5)4(6)7/h3,5H,2H2,1H3,(H,6,7)/p-1 |
| InChI Key | DBXBTMSZEOQQDU-UHFFFAOYSA-M |
| CHEBI ID | CHEBI:11805 |
| MiMeDB ID | MMDBc0054223 |
| State | Expected Solid |
| Water Solubility | 5.71e+02 g/l |
| logP | -0.47 |
| logS | 0.74 |
| pKa (Strongest Acidic) | 4.37 |
| pKa (Strongest Basic) | -2.69 |
| Hydrogen Acceptor Count | 3 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 57.53 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | -1 |
| Formal Charge | 0 |
| Refractivity | 23.62 m³·mol⁻¹ |
| Polarizability | 9.98 |